Information card for entry 4326997

Structure parameters

• Formula: C89 H57 Co3 Cr2 N27 O36
• Calculated formula: C89 H57 Co3 Cr2 N27 O36
• SMILES: c1(ccccc1)C1N[N]2=C(C)c3[n]4c(C(=[N]5NC(=[O][Co]245([N]#C[Cr](C#[N][Co]2456([n]7c(C(=[N]2NC(=[O]4)c2ccccc2)C)cccc7C(=[N]5NC(=[O]6)c2ccccc2)C)[N]#C[Cr](C#[N][Co]2456([N](NC(c7ccccc7)=[O]6)=C(C)c6[n]2c(C(=[N]4NC(=[O]5)c2ccccc2)C)ccc6)[OH2])(C#N)(C#N)(C#N)C#N)(C#N)(C#N)(C#N)C#N)([O]=1)[OH2])c1ccccc1)C)ccc3.OC.OC.OC.O.O.CO.O.O.O.O.O.O.O.O.OC.OC.OC.O.O.CO.O.O.O.O.O.O.O.O
• Title of publication: Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior
• Authors of publication: Luke J. Batchelor; Marco Sangalli; Régis Guillot; Nathalie Guihéry; Remi Maurice; Floriana Tuna; Talal Mallah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12045 - 12052
• a: 36.133 ± 0.005 Å
• b: 32.248 ± 0.005 Å
• c: 10.7698 ± 0.0012 Å
• α: 90°
• β: 101.268 ± 0.003°
• γ: 90°
• Cell volume: 12307 ± 3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1921
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.3088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No